2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide

C26H34N4O — CID 30674042

IUPAC2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
SMILESCc1c(CN[C@H]2CCCN(CCCc3ccccc3)C2)c2ccccc2n1CC(N)=O
InChIInChI=1S/C26H34N4O/c1-20-24(23-13-5-6-14-25(23)30(20)19-26(27)31)17-28-22-12-8-16-29(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,22,28H,7-8,11-12,15-19H2,1H3,(H2,27,31)/t22-/m0/s1
InChIKeyGPMSHUJIWCEFST-QFIPXVFZSA-N
MW418.59 g/mol
LogP3.62
Rot. Bonds9

About 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide

2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide (PubChem CID 30674042) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
PubChem CID30674042
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide
SMILESCc1c(CN[C@H]2CCCN(CCCc3ccccc3)C2)c2ccccc2n1CC(N)=O
InChIInChI=1S/C26H34N4O/c1-20-24(23-13-5-6-14-25(23)30(20)19-26(27)31)17-28-22-12-8-16-29(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,22,28H,7-8,11-12,15-19H2,1H3,(H2,27,31)/t22-/m0/s1
InChIKeyGPMSHUJIWCEFST-QFIPXVFZSA-N
XLogP3.62
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-(furan-2-ylmethyl)-1-(3-phenylpropyl)piperidin-3-amine
CID 45222723
N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45168889
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-phenylpropyl)piperidin-3-amine
CID 45244892
N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26397825
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
2-[2-methyl-3-[[3-(3-oxopiperazin-1-yl)propylamino]methyl]indol-1-yl]acetamide
CID 46998836
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 42593936
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide (CID 30674042) is 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide is Cc1c(CN[C@H]2CCCN(CCCc3ccccc3)C2)c2ccccc2n1CC(N)=O.
What is the InChIKey of 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide?
The InChIKey is GPMSHUJIWCEFST-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H34N4O/c1-20-24(23-13-5-6-14-25(23)30(20)19-26(27)31)17-28-22-12-8-16-29(18-22)15-7-11-21-9-3-2-4-10-21/h2-6,9-10,13-14,22,28H,7-8,11-12,15-19H2,1H3,(H2,27,31)/t22-/m0/s1.
What are the key properties of 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide?
2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide has a molecular weight of 418.59 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]amino]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 30674042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).